Vitas-M small molecule compound
3-(1,3-benzothiazol-2-yl)-1'-(4-methoxyphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Catalog ID
STK688447
SMILES COc1ccc(cc1)N1C(=O)NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CN(CC1)c1nc2c(s1)cccc2)[N+](=O)[O-]
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C29H24N6O6S MW 584.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N6O6S/c1-41-20-9-6-18(7-10-20)34-26(37)29(25(36)31-27(34)38)15-17-14-19(35(39)40)8-11-22(17)33-13-12-32(16-24(29)33)28-30-21-4-2-3-5-23(21)42-28/h2-11,14,24H,12-13,15-16H2,1H3,(H,31,36,38)InChIKey
ZXLRVMZOFLKKEY-UHFFFAOYSA-NSynonyms
3(13benzothiazol2yl)1(4methoxyphenyl)8nitro2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)246(1H3H)trione
3(13benzothiazol2yl)1(4methoxyphenyl)8nitrospiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
COC1=CC=C(C=C1)N2C(=O)C3(CC4=C(C=CC(=C4)(N+)(=O)(O))N5C3CN(CC5)C6=NC7=CC=CC=C7S6)C(=O)NC2=O
COc1ccc(cc1)N1C(=O)NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CN(CC1)c1nc2c(s1)cccc2)(N+)(=O)(O)
InChI=1SC29H24N6O6Sc141209618(71020)3426(37)29(25(36)3127(34)38)15171419(35(39)40)81122(17)33131232(1624(29)33)283021423523(21)4228h2111424H12131516H21H3(H313638)
MFCD07657616
ZINC000098008964
ZINC000230058289
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.